5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one

C11H13NO4 — CID 10561035

IUPAC5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one
SMILESCOC1Oc2cccc(C(C)O)c2NC1=O
InChIInChI=1S/C11H13NO4/c1-6(13)7-4-3-5-8-9(7)12-10(14)11(15-2)16-8/h3-6,11,13H,1-2H3,(H,12,14)
InChIKeyBVPLFKOWLKNKBA-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.04
Rot. Bonds2

About 5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one

5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one (PubChem CID 10561035) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one
PubChem CID10561035
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one
SMILESCOC1Oc2cccc(C(C)O)c2NC1=O
InChIInChI=1S/C11H13NO4/c1-6(13)7-4-3-5-8-9(7)12-10(14)11(15-2)16-8/h3-6,11,13H,1-2H3,(H,12,14)
InChIKeyBVPLFKOWLKNKBA-UHFFFAOYSA-N
XLogP1.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one (CID 10561035) is 5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one is COC1Oc2cccc(C(C)O)c2NC1=O.
What is the InChIKey of 5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one?
The InChIKey is BVPLFKOWLKNKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6(13)7-4-3-5-8-9(7)12-10(14)11(15-2)16-8/h3-6,11,13H,1-2H3,(H,12,14).
What are the key properties of 5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one?
5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one has a molecular weight of 223.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-2-methoxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 10561035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).